Structural and thermochemical investigation of 1,3-bis(λ4-boraneyl)-1λ4,3λ4-imidazolidine adduct for chemical hydrogen storage

Author:

Irfan Fathima Rifana Mohamed1,Masters Sarah L.1ORCID

Affiliation:

1. School of Physical and Chemical Sciences, University of Canterbury, Private Bag 4100, Christchurch 8140, New Zealand

Abstract

The structure, thermochemical properties and reaction pathways of a cyclic amine diborane complex (1,3-bis(λ4-boraneyl)-1λ4,3λ4-imidazolidine) were investigated using quantum chemical calculations.

Funder

University of Canterbury

Publisher

Royal Society of Chemistry (RSC)

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